| CAS Number | 1334172-59-6 |
| Catalog Number | AG00HSWE(AGN-PC-0WBOIV) |
| Chemical Name | Biotin-Teg-Nh2 Tfa |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentanamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C20H38N4O5S.C2HF3O2/c21-7-3-9-27-11-13-29-14-12-28-10-4-8-22-18(25)6-2-1-5-17-19-16(15-30-17)23-20(26)24-19;3-2(4,5)1(6)7/h16-17,19H,1-15,21H2,(H,22,25)(H2,23,24,26);(H,6,7)/t16-,17-,19-;/m0./s1 |
| InChI Key | NFXGRJSOZRCYLM-QMBKNIKNSA-N |
| MDL Number | MFCD13184983 |
| Molecular Formula | C20H38N4O5S |
| Molecular Weight | 446.6045 |
| SMILES | NCCCOCCOCCOCCCNC(=O)CCCCC1SCC2C1NC(=O)N2 |
| Synonyms | Biotin-Teg-Nh2 Tfa,
1334172-59-6,
C20H38N4O5S.C2HF3O2,
6190AH,
MFCD13184983,
N-Biotin-tetra(ethylene glycol)-diamine, N-Biotin-3,3'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))dipropan-1-amine,
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| Complexity | 583 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 560.249g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 560.63g/mol |
| Monoisotopic Mass | 560.249g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 187A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number